ThZnN2
Alexandria ALEXAlex-ID: agm005709308 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_9420_spg12
ThZnN2
2023-07-14 17:11:27.493470
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005709308).
Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620
@article{Cavignac2026Alexandria,
author = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
and Marques, Miguel A. L.},
title = {{AI}-Driven expansion and application of the {A}lexandria database},
journal = {Journal of Physics: Materials},
year = {2026},
volume = {9},
number = {2},
pages = {025014},
doi = {10.1088/2515-7639/ae6620},
url = {https://doi.org/10.1088/2515-7639/ae6620}
}
3D Crystal Structure Rendering
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# CIF generated by HEAS from Alexandria entry agm005709308
data_agm005709308
_cell_length_a 3.78807
_cell_length_b 6.23807
_cell_length_c 6.14085
_cell_angle_alpha 75.74378
_cell_angle_beta 107.88998
_cell_angle_gamma 90.00629
_cell_volume 133.39108
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Th1 Th 0.05959 0.52691 0.38476 1.00000
Th2 Th 0.66384 0.97310 0.59366 1.00000
Zn1 Zn 0.33163 0.45943 0.92793 1.00000
Zn2 Zn 0.39189 0.04054 0.05049 1.00000
N1 N 0.20927 0.72588 0.68520 1.00000
N2 N 0.22580 0.20682 0.71808 1.00000
N3 N 0.49765 0.29319 0.26036 1.00000
N4 N 0.51418 0.77413 0.29322 1.00000
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